SCHEMBL16370100

SCHEMBL16370100

C=CF.CCOC(=O)OCC.COC(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
SOAT1 P35610 1/20 0.46
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPA1 O75762 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bicarbonate SCHEMBL16858645 0.96 ALDH1A1 (0.52) ALDH1A1SOAT1MGAMGAASI
SCHEMBL742180 0.91 ALDH1A1 (0.68) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL576994 0.89 ALDH1A1 (0.48) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL27780973 0.88 ALDH1A1 (0.46) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL16395634 0.86 ALDH1A1 (0.62) ALDH1A1SOAT1MGAMGAASI
SCHEMBL1565309 0.86 ALDH1A1 (0.77) ALDH1A1SOAT1MGAMGAASI
SCHEMBL16858654 0.86 ALDH1A1 (0.77) ALDH1A1SOAT1MGAMGAASI
SCHEMBL3622037 0.84 ALDH1A1 (0.72) ALDH1A1SOAT1MGAMGAASI
Ethylene SCHEMBL28085102 0.81 ALDH1A1 (0.60) ALDH1A1SOAT1MGAMGAASI
Bicarbonate SCHEMBL18260680 0.81 ALDH1A1 (0.68) ALDH1A1SOAT1MGAMGAASI

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015004230-A1 APPLICATION OF BINDERLESS ZEOLITE MOLECULAR SIEVES FOR THE DRYING OF CARBONATES USED AS ELETROLYTIC SOLVENTS BASF SE (DE) 2015-01-15 WO disclosed
WO-2015004233-A1 METHOD FOR PRODUCING A DEHYDRATED LIQUID ORGANIC CARBONATE MIXTURE BASF SE (DE) 2015-01-15 WO disclosed